5-bromo-1,3-diphenyl-2-benzofuran

C20H13BrO — CID 71084545

IUPAC5-bromo-1,3-diphenyl-2-benzofuran
SMILESBrc1ccc2c(-c3ccccc3)oc(-c3ccccc3)c2c1
InChIInChI=1S/C20H13BrO/c21-16-11-12-17-18(13-16)20(15-9-5-2-6-10-15)22-19(17)14-7-3-1-4-8-14/h1-13H
InChIKeyWXGWSYFSSQKWKE-UHFFFAOYSA-N
MW349.23 g/mol
LogP6.53
Rot. Bonds2

About 5-bromo-1,3-diphenyl-2-benzofuran

5-bromo-1,3-diphenyl-2-benzofuran (PubChem CID 71084545) has the molecular formula C20H13BrO and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-bromo-1,3-diphenyl-2-benzofuran.

Molecular Properties

Compound Name5-bromo-1,3-diphenyl-2-benzofuran
PubChem CID71084545
Molecular FormulaC20H13BrO
Molecular Weight349.23 g/mol
Exact Mass348.01
IUPAC Name5-bromo-1,3-diphenyl-2-benzofuran
SMILESBrc1ccc2c(-c3ccccc3)oc(-c3ccccc3)c2c1
InChIInChI=1S/C20H13BrO/c21-16-11-12-17-18(13-16)20(15-9-5-2-6-10-15)22-19(17)14-7-3-1-4-8-14/h1-13H
InChIKeyWXGWSYFSSQKWKE-UHFFFAOYSA-N
XLogP6.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.23
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-diphenyl-2-benzofuran?
The IUPAC name of 5-bromo-1,3-diphenyl-2-benzofuran (CID 71084545) is 5-bromo-1,3-diphenyl-2-benzofuran.
What is the SMILES notation for 5-bromo-1,3-diphenyl-2-benzofuran?
The canonical SMILES for 5-bromo-1,3-diphenyl-2-benzofuran is Brc1ccc2c(-c3ccccc3)oc(-c3ccccc3)c2c1.
What is the InChIKey of 5-bromo-1,3-diphenyl-2-benzofuran?
The InChIKey is WXGWSYFSSQKWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrO/c21-16-11-12-17-18(13-16)20(15-9-5-2-6-10-15)22-19(17)14-7-3-1-4-8-14/h1-13H.
What are the key properties of 5-bromo-1,3-diphenyl-2-benzofuran?
5-bromo-1,3-diphenyl-2-benzofuran has a molecular weight of 349.23 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-diphenyl-2-benzofuran is sourced from PubChem (CID 71084545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).